5-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid CAS Name: 5-[[(3-amino-6-butyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]-2-chlorobenzoic acid Traditional Name: 5-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N

Isomeric SMILES

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N

InChI

InChI=1S/C19H18ClN3O3S/c1-2-3-4-10-5-7-12-15(21)16(27-18(12)23-10)17(24)22-11-6-8-14(20)13(9-11)19(25)26/h5-9H,2-4,21H2,1H3,(H,22,24)(H,25,26)